3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C20H22N2O2 — CID 113205052

IUPAC3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O2/c1-12(2)24-16-8-6-15(7-9-16)21-20(23)19-14(4)17-10-5-13(3)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23)
InChIKeyLKZXMZNYCIVAKY-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.82
Rot. Bonds4

About 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 113205052) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID113205052
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1
InChIInChI=1S/C20H22N2O2/c1-12(2)24-16-8-6-15(7-9-16)21-20(23)19-14(4)17-10-5-13(3)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23)
InChIKeyLKZXMZNYCIVAKY-UHFFFAOYSA-N
XLogP4.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
2-amino-5-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 62510532
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108986808
3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
ethyl 2-(3,6-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072754

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 113205052) is 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3ccc(OC(C)C)cc3)[nH]c2c1.
What is the InChIKey of 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is LKZXMZNYCIVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-12(2)24-16-8-6-15(7-9-16)21-20(23)19-14(4)17-10-5-13(3)11-18(17)22-19/h5-12,22H,1-4H3,(H,21,23).
What are the key properties of 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113205052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).